SCHEMBL24450119

SCHEMBL24450119

CC(C)c1cn(Cc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 2/20 0.36
▸ GRIA2 P42262 2/20 0.36
▸ GRIA4 P48058 2/20 0.36
▸ GRIK5 Q16478 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ THRB P10828 3/20 0.36
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24449325 0.83 GRIA1 (0.39) GRIA1GRIA2GRIA4GRIK5THRB
SCHEMBL24449950 0.72 THRA (0.65) THRBCYP2C9THRA
SCHEMBL13384415 0.70 HPGD (0.66) HPGDKMT2A
SCHEMBL13384412 0.69 MAPK1 (0.41) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL13384443 0.68 SMN1; SMN2 (0.40) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL18080406 0.67 MAPK1 (0.35) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL24450050 0.67 CYP2C9 (0.36) ALDH1A1THRBGRIN2DGRIN3BGRIN1
SCHEMBL20870268 0.66 GRIA1 (0.38) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL12341287 0.66 HTT (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL8818041 0.64 ALDH1A1 (0.61) ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162161-A1 Novel compounds and their uses as thyroid hormone receptor agonists NANJING RUIJIE PHARMA CO., LTD. (CN) 2022-05-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220162161-A1 Novel compounds and their uses as thyroid hormone receptor agonists THRA, THRB, TSHR GRIA1 771/4885GRIA2 1444/4885GRIA4 940/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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